PDB entry 1ra6



Warnings!

Structure
SpacegroupP 65
Cell dimensionsa: 127.590 Åb: 127.590 Åc: 112.971 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 67110Test set: 6807 (10.1%)
Resolution range26.94 Å2.01 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.23100.23610.16730.1773
R-free0.24700.24040.19800.2073
σR-free 0.00290.00240.0025
Z(R-free) 11.41-1.75-0.76

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.774-0.667-0.712
2nd generation packing quality1-1.613-1.404-1.096
Ramachandran plot appearance1-1.724-0.385-0.459
Chi-1/Chi-2 rotamer normality1-1.459-0.888-0.947
Backbone conformation10.026-0.233-0.163
Bond length RMS Z-score20.3200.7030.726
Bond angle RMS Z-score20.6200.8360.847
Total number of bumps3954330
Unsatisfied H-bond donors/acceptors3201822
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues371
Significantly deteriorated residues1
Changes of all residuesPlot

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